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Substance Name: Raunescine
RN: 117-73-7
UNII: 0063SJ21TG
InChIKey: UGMYHMZSPHJQHL-UTYXIPFNSA-N

Molecular Formula

  • C31-H36-N2-O8

Molecular Weight

  • 564.6314
 
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Names and Synonyms

Name of Substance

  • Raunescine

Synonyms

  • 3,4,5-Trimethoxybenzoyl methyl raunescate
  • 3beta,20alpha-Yohimban-16beta-carboxylic acid, 17alpha,18beta-dihydroxy-, methyl ester, 18-(3,4,5-trimethoxybenzoate)
  • NSC-72122
  • Raunescine
  • Raunescine [MI]
  • UNII-0063SJ21TG
  • Yohimban-16-carboxylic acid, 17-hydroxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 117-73-7

FDA UNII

  • 0063SJ21TG

System Generated Number

  • 0000117737

Structure Descriptors

InChI

1S/C31H36N2O8/c1-37-24-11-16(12-25(38-2)29(24)39-3)30(35)41-23-13-17-15-33-10-9-19-18-7-5-6-8-21(18)32-27(19)22(33)14-20(17)26(28(23)34)31(36)40-4/h5-8,11-12,17,20,22-23,26,28,32,34H,9-10,13-15H2,1-4H3/t17-,20+,22-,23-,26+,28+/m1/s1

InChIKey

UGMYHMZSPHJQHL-UTYXIPFNSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c6ccccc6[nH]c5[C@H]4C[C@@H]3[C@@H]([C@H]2O)C(=O)OC